Geometry & MOs

Info

ID:	257694
PubChem CID:	103148043
Reduced:	BrNOF4C12H14 (1)
Stoich.:	ABCD4E12F14 (1)
Weight, g/mol:	343.01949
ΔH_f, kcal/mol:	-237.22
Dipole, Da:	3.71
IP(EA), eV:	-9.52(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-4-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-2-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CC(CCOCC(F)(F)F)N)Br)F

DOS

IR

Vibrations